Hofmeister at work. Implementation of a paradigm shift in physical chemistry. Standard tools of measurement in environmental, industrial, colloid, nano and biosciences rest on classical theories which have been shown to be badly flawed. The faults have been remedied to give a new, predictive and usable foundation that amounts to a paradigm shift of immediate importance to many applications.
Novel water treatment processes. The objective of this project is the discovery of novel methods for the treatment and reuse of water for both industrial and household applications. Improved treatment systems with the potential for water reuse offer significant improvements to our overall water management potential. The first part of the project is designed to focus on the study of hot bubble column evaporators for solute decomposition, sterilisation and the de-watering of heavily contaminated i ....Novel water treatment processes. The objective of this project is the discovery of novel methods for the treatment and reuse of water for both industrial and household applications. Improved treatment systems with the potential for water reuse offer significant improvements to our overall water management potential. The first part of the project is designed to focus on the study of hot bubble column evaporators for solute decomposition, sterilisation and the de-watering of heavily contaminated industrial wastewater. The second part would be based on the study of a suitable depth filter medium for the treatment of partially treated household sewage water. This is designed to form part of an on-site household sewage water treatment and reuse system which is currently being developed.Read moreRead less
Accurate and fast quantum simulation to predict chemistry. Quantum mechanical simulation is the most accurate tool available for predicting and understanding chemical reactions. Traditional techniques for performing quantum mechanical simulations of molecular collisions and reactions cannot be applied to more than five or six atoms, meaning that it is not possible to study most chemical reactions in full detail. In this project a new technique for performing these accurate simulations, recently ....Accurate and fast quantum simulation to predict chemistry. Quantum mechanical simulation is the most accurate tool available for predicting and understanding chemical reactions. Traditional techniques for performing quantum mechanical simulations of molecular collisions and reactions cannot be applied to more than five or six atoms, meaning that it is not possible to study most chemical reactions in full detail. In this project a new technique for performing these accurate simulations, recently invented at the Australian National University and allowing the study of much larger systems, will be developed and applied to important outstanding problems in chemical dynamics, ranging from roaming in formaldehyde to atom migration in proteins.Read moreRead less
A semiclassical approach to spectral theory. Spectral theory is the branch of mathematics dealing with natural frequencies (eigenvalues) and modes of vibration (eigenfunctions) of systems arising in geometry, quantum physics and engineering. As such, they have important applications in seismic and medical imaging, nanotechnology, and optical communications. This project aims to use recently developed mathematical tools to advance our understanding of high energy eigenvalues and eigenfunctions, a ....A semiclassical approach to spectral theory. Spectral theory is the branch of mathematics dealing with natural frequencies (eigenvalues) and modes of vibration (eigenfunctions) of systems arising in geometry, quantum physics and engineering. As such, they have important applications in seismic and medical imaging, nanotechnology, and optical communications. This project aims to use recently developed mathematical tools to advance our understanding of high energy eigenvalues and eigenfunctions, as well as new algorithms for numerically computing them.Read moreRead less
Asymmetric Synthesis of Chiral Phosphines, Arsines, and Stibines. There are now chiral phosphine-transition metal catalysts that rival enzymes in their efficiency for the asymmetric synthesis of important chiral drugs, fragrants, cosmetics, nutrients, vitamins, and pesticides. This project is aimed at a generalised asymmetric synthesis of the critical components of these enzyme mimics, notably enantiopure chiral phosphines, but also chiral arsines and stibines, by a highly innovative approach t ....Asymmetric Synthesis of Chiral Phosphines, Arsines, and Stibines. There are now chiral phosphine-transition metal catalysts that rival enzymes in their efficiency for the asymmetric synthesis of important chiral drugs, fragrants, cosmetics, nutrients, vitamins, and pesticides. This project is aimed at a generalised asymmetric synthesis of the critical components of these enzyme mimics, notably enantiopure chiral phosphines, but also chiral arsines and stibines, by a highly innovative approach that involves novel six-electron phosphenium, arsenium, and stibinium cations that are themselves stabilised by chiral phosphines so that chemical breeder reactions are possible. The use of chiral auxiliaries from the natural pool and from biotechnology will also be investigated.Read moreRead less
Quantum-chemical design of stereoregular polyphosphines for nanowires. In this project we will be designing and producing stereoregular polyphosphines that can self-assemble gold and silver complexes that mimic the molecular architectures of DNA and certain proteins. The longer gold complexes will behave as insulated nanowires, and are an exciting prospect for the development of nanotechnological devices. The shorter silver and gold complexes are expected to have significant antitumour propertie ....Quantum-chemical design of stereoregular polyphosphines for nanowires. In this project we will be designing and producing stereoregular polyphosphines that can self-assemble gold and silver complexes that mimic the molecular architectures of DNA and certain proteins. The longer gold complexes will behave as insulated nanowires, and are an exciting prospect for the development of nanotechnological devices. The shorter silver and gold complexes are expected to have significant antitumour properties. This project, which will use a unique theoretical-experimental approach to design the stereoregular polyphosphines, will enhance Australia's international scientific reputation, and will contribute to technological advancement in the national priority areas of nanotechnology and biotechnology.Read moreRead less
Towards Nano-circuits: 2 and 3-Dimensional Carbon-Wired Nano-architectures. Whilst Australia has a world-class profile in organotransition metal chemistry, main-group chemistry is under-represented, despite the enormous technological importance of materials based on these elements. In addition to the fundamental breakthrough science to be explored, the project will provide a training vehicle for 5 young scientists in both main group and organometallic chemistry. The target compounds involve an e ....Towards Nano-circuits: 2 and 3-Dimensional Carbon-Wired Nano-architectures. Whilst Australia has a world-class profile in organotransition metal chemistry, main-group chemistry is under-represented, despite the enormous technological importance of materials based on these elements. In addition to the fundamental breakthrough science to be explored, the project will provide a training vehicle for 5 young scientists in both main group and organometallic chemistry. The target compounds involve an essentially unique marriage of the fields of main-group and transition metal chemistry to provide complex nano-architectures based on the modular interconnection of metals and non-metals by carbon wires at the molecular level - nanoscopic counterparts of macroscopic circuit components.Read moreRead less
Understanding and Harnessing the Unique and Curious Metal Boron Bond: Unlocking the Metallaboratrane Cage. Metal-boron bonding holds enormous technological importance due to the emergence of boron-based metal-mediated synthetic transformations that access a diversity of high value-added fine chemicals. Whilst Australia boasts an emergent boron-based fine chemicals industry, no research program into the nature of metal boron bonding exists to provide either fundamental science or advanced trainin ....Understanding and Harnessing the Unique and Curious Metal Boron Bond: Unlocking the Metallaboratrane Cage. Metal-boron bonding holds enormous technological importance due to the emergence of boron-based metal-mediated synthetic transformations that access a diversity of high value-added fine chemicals. Whilst Australia boasts an emergent boron-based fine chemicals industry, no research program into the nature of metal boron bonding exists to provide either fundamental science or advanced training in organometallic boron chemistry. The proposed work offers two distinct national benefits: The maintenance of a discipline in which Australia leads the world (metallaboratranes) and the genesis of one, which whilst intensely studied elsewhere, is notably absent from the Australian science base (low coordinate, unsaturated boron chemistry).Read moreRead less
Supramolecular Rip-n-Sew - New Computational Tools for Modelling Supermolecules. This project will develop new computational tools for predicting the chemical behaviour of large molecular and supramolecular systems with an accuracy and efficiency that has not previously been possible. It will also increase our mechanistic understanding of the principles governing supramolecular assembly in chemical and biological systems. This will enable cost and time savings in the design of advanced material ....Supramolecular Rip-n-Sew - New Computational Tools for Modelling Supermolecules. This project will develop new computational tools for predicting the chemical behaviour of large molecular and supramolecular systems with an accuracy and efficiency that has not previously been possible. It will also increase our mechanistic understanding of the principles governing supramolecular assembly in chemical and biological systems. This will enable cost and time savings in the design of advanced materials in the medical and agricultural contexts.Read moreRead less
Metallaboratranes: Soft Scorpionates and Masked Metal Bases. All molecular metal compounds involve a metal surrounded by a group of electron donors (?ligands?). The design and manipulation of these ligand sets and their interactions with metals (?coordination chemistry?) underpins ALL applications of metals, be they in biological, pharmaceutical, materials or industrial applications. This proposal addresses the diametric opposite - the role-reversal wherein a metal centre acts as an electron don ....Metallaboratranes: Soft Scorpionates and Masked Metal Bases. All molecular metal compounds involve a metal surrounded by a group of electron donors (?ligands?). The design and manipulation of these ligand sets and their interactions with metals (?coordination chemistry?) underpins ALL applications of metals, be they in biological, pharmaceutical, materials or industrial applications. This proposal addresses the diametric opposite - the role-reversal wherein a metal centre acts as an electron donor to a ligand. This rare situation has only recently been firmly established in this research group, but promises to be part of a wider new coordination chemistry, the limits of which will be pursued in the proposed work.Read moreRead less